6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide

C21H23F2N7O2 — CID 139508227

About 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide

6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide (PubChem CID 139508227) has the molecular formula C21H23F2N7O2 and a molecular weight of 443.46 g/mol. Its IUPAC name is 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 139508227
• Molecular Formula: C21H23F2N7O2
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.19
• IUPAC Name: 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(CF)Nc1cc(-c2cnc3cc(C#N)cnn23)ncc1C(=O)NCC(F)C(C)(C)O
• InChI: InChI=1S/C21H23F2N7O2/c1-12(6-22)29-15-5-16(17-10-26-19-4-13(7-24)8-28-30(17)19)25-9-14(15)20(31)27-11-18(23)21(2,3)32/h4-5,8-10,12,18,32H,6,11H2,1-3H3,(H,25,29)(H,27,31)
• InChIKey: MUPNVQOLUIGEHA-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 128.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide (CID 139508227) is 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide is CC(CF)Nc1cc(-c2cnc3cc(C#N)cnn23)ncc1C(=O)NCC(F)C(C)(C)O.

What is the InChIKey of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is MUPNVQOLUIGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7O2/c1-12(6-22)29-15-5-16(17-10-26-19-4-13(7-24)8-28-30(17)19)25-9-14(15)20(31)27-11-18(23)21(2,3)32/h4-5,8-10,12,18,32H,6,11H2,1-3H3,(H,25,29)(H,27,31).

What are the key properties of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide?

6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).